N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide

C17H18N2OS — CID 60976962

IUPACN-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18N2OS/c20-17(14-6-7-16-13(12-14)8-9-18-16)19-10-11-21-15-4-2-1-3-5-15/h1-7,12,18H,8-11H2,(H,19,20)
InChIKeyBTIABTDWNCVMHM-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.18
Rot. Bonds5

About N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 60976962) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID60976962
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18N2OS/c20-17(14-6-7-16-13(12-14)8-9-18-16)19-10-11-21-15-4-2-1-3-5-15/h1-7,12,18H,8-11H2,(H,19,20)
InChIKeyBTIABTDWNCVMHM-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60927886

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 60976962) is N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide is O=C(NCCSc1ccccc1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is BTIABTDWNCVMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(14-6-7-16-13(12-14)8-9-18-16)19-10-11-21-15-4-2-1-3-5-15/h1-7,12,18H,8-11H2,(H,19,20).
What are the key properties of N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 60976962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).